N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C17H23N3O5S2 — CID 55510466

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccco1
InChIInChI=1S/C17H23N3O5S2/c1-19(2)13(14-4-3-8-25-14)12-18-17(21)16-15(5-11-26-16)27(22,23)20-6-9-24-10-7-20/h3-5,8,11,13H,6-7,9-10,12H2,1-2H3,(H,18,21)
InChIKeyAITCLSWJYXAJRB-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.39
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 55510466) has the molecular formula C17H23N3O5S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID55510466
Molecular FormulaC17H23N3O5S2
Molecular Weight413.52 g/mol
Exact Mass413.11
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccco1
InChIInChI=1S/C17H23N3O5S2/c1-19(2)13(14-4-3-8-25-14)12-18-17(21)16-15(5-11-26-16)27(22,23)20-6-9-24-10-7-20/h3-5,8,11,13H,6-7,9-10,12H2,1-2H3,(H,18,21)
InChIKeyAITCLSWJYXAJRB-UHFFFAOYSA-N
XLogP1.39
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 26010349
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 8501899
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
4-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 51889196

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 55510466) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is CN(C)C(CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is AITCLSWJYXAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S2/c1-19(2)13(14-4-3-8-25-14)12-18-17(21)16-15(5-11-26-16)27(22,23)20-6-9-24-10-7-20/h3-5,8,11,13H,6-7,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55510466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).